Abstract

A series of new phosphorylated derivatives of thiazolidinedione was synthesized for the first time with high yields (92–96%) in short reaction time (7–15min) by the reaction of 4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl ethyl phosphorochloridate with various heterocyclic amines by microwave irradiation technique under solvent-free condition. A study on in silico ADMET and molecular docking was performed for all the molecules to acquire an insight on drug likeliness behavior and also their ability to inhibit the enzyme, α-amylase. The molecules with momentous pharmacokinetic properties with substantial binding affinity were synthesized. The synthesized compounds were characterized spectroscopically to confirm their structure and then in vitro α-amylase inhibitory activity was also carried out for all the newly prepared compounds. The compounds 9b, 9e, 9f, and 9j reported the highest inhibition amongst the synthesized compounds. All the leftover compounds displayed modest to excellent inhibition in comparison with reference drug, Acarbose.

摘要

4-{[(5E)-2,4-dioxo-反应在较短的反应时间(7-15min)内首次合成了一系列新型噻唑烷二酮磷酸化衍生物，收率高达92-96%。 1,3-噻唑烷-5-亚基]甲基}苯基乙基磷酰氯与各种杂环胺在无溶剂条件下微波辐照技术。对所有分子进行了计算机ADMET 和分子对接研究，以了解药物的可能性行为以及它们抑制酶α-淀粉酶的能力。合成了具有重要药代动力学特性和显着结合亲和力的分子。对合成的化合物进行光谱表征以确认其结构，然后在体外 α对所有新制备的化合物也进行了β-淀粉酶抑制活性。化合物9b、9e、9f和9j在合成化合物中报告了最高的抑制作用。与参考药物阿卡波糖相比，所有剩余的化合物都表现出适度到优异的抑制作用。